Insights into adenosine A2A receptor activation through cooperative modulation of agonist and allosteric lipid interactions
Fig 10
The two-dimensional collective variable (CV) space of A2aR activation and receptor conformations during respective MD simulations: A) apo or with bound adenosine (ADN); B) with bound NECA. CVs correspond to distances between ionic lock residues R3.50 and E6.30 (TM3-TM6), and residues R3.50 and Y7.53 (TM3-TM7). The reference distances from inactive, intermediate and active crystal structures are shown as blue, cyan, and green dots, respectively. Frequency of receptor conformation is represented by a “heat” scale (low: black, high: yellow).